4-Methylpyrazolo(5,1-c)(1,2,4)triazine-3-carboxylic acid
Basic information
- CAS
6726-55-2- Standard SMILES
Cc1c(C(=O)O)nnc2ccnn12- InChIKey
QAZXHJHDXYQJNA-UHFFFAOYSA-N- Molecular formula
- C7H6N4O2
- Average molar mass
- 178.15 g/mol
- Monoisotopic mass
- 178.04907545
Names & identifiers
- Preferred name
- 4-Methylpyrazolo(5,1-c)(1,2,4)triazine-3-carboxylic acid
- IUPAC
- 4-methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
- English name
- 4-Methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
- Molecular formula
- C7H6N4O2
- Molecular weight
- 178.15
Names & synonyms
4-Methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid6726-55-24-Methylpyrazolo(5,1-c)(1,2,4)triazine-3-carboxylic acidRefChem:294675Pyrazolo[5,1-c]-as-triazine-3-carboxylic acid, 4-methyl-QAZXHJHDXYQJNA-UHFFFAOYSA-NDTXSID401201774AKOS0026824374-Methylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid #Pyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid, 4-methyl-
Database identifiers
- CAS
6726-55-2- PubChem CID
- 601277
- DTXSID
DTXSID401201774- Nikkaji
- J102.658E
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 223
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Compound notes
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